N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide

C16H19NO3S — CID 101352604

IUPACN-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide
SMILESC=CCS(=O)(=O)N(C(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-13-21(19,20)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-5,7-8,11-12,14H,1,6,9-10,13H2
InChIKeyODMCPGALBKXXBG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds5

About N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide

N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide (PubChem CID 101352604) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide
PubChem CID101352604
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide
SMILESC=CCS(=O)(=O)N(C(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-2-13-21(19,20)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-5,7-8,11-12,14H,1,6,9-10,13H2
InChIKeyODMCPGALBKXXBG-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide (CID 101352604) is N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide is C=CCS(=O)(=O)N(C(=O)C1CC=CCC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide?
The InChIKey is ODMCPGALBKXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-13-21(19,20)17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h2-5,7-8,11-12,14H,1,6,9-10,13H2.
What are the key properties of N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide?
N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enylsulfonylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 101352604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).